5QF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.44Å | |
| O30 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C21 | O19 | sing | 1.43Å | 1.43Å | |
| C20 | O18 | sing | 1.43Å | 1.44Å | |
| C28 | N25 | sing | 1.47Å | 1.47Å | |
| O18 | C16 | sing | 1.36Å | 1.36Å | |
| O19 | C15 | sing | 1.36Å | 1.39Å | |
| N25 | C26 | sing | 1.47Å | 1.48Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.47Å | 1.47Å | |
| C27 | N22 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| N22 | C3 | sing | 1.39Å | 1.42Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C3 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C35 | C2 | sing | 1.51Å | 1.51Å | |
| C35 | O34 | sing | 1.43Å | 1.40Å | |
| N4 | C5 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.41Å | Aromatic |
| C10 | S9 | sing | 1.81Å | 1.79Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C5 | S9 | sing | 1.76Å | 1.70Å | |
| C5 | C6 | doub | 1.41Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C32 | sing | 1.50Å | 1.51Å | |
| C37 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C36 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.43Å | 1.30Å | |
| C7 | N8 | trip | 1.14Å | 1.18Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C29 | 116.8° | 114.0° |
| O30 | C31 | H27 | 109.5° | 109.4° |
| O30 | C31 | H28 | 109.5° | 109.5° |
| O30 | C31 | H29 | 109.5° | 109.5° |
| O30 | C29 | C28 | 107.4° | 109.5° |
| O30 | C29 | H25 | 110.0° | 109.5° |
| O30 | C29 | H26 | 110.0° | 109.5° |
| C29 | C28 | N25 | 108.6° | 109.4° |
| C29 | C28 | H23 | 109.7° | 109.5° |
| C29 | C28 | H24 | 109.7° | 109.5° |
| C28 | C29 | H25 | 110.0° | 109.5° |
| C28 | C29 | H26 | 110.0° | 109.5° |
| C21 | O19 | C15 | 128.7° | 117.0° |
| O19 | C21 | H11 | 109.5° | 109.4° |
| O19 | C21 | H12 | 109.4° | 109.5° |
| O19 | C21 | H13 | 109.4° | 109.5° |
| C20 | O18 | C16 | 119.7° | 117.0° |
| O18 | C20 | H8 | 109.5° | 109.5° |
| O18 | C20 | H9 | 109.5° | 109.4° |
| O18 | C20 | H10 | 109.5° | 109.5° |
| C28 | N25 | C26 | 112.2° | 111.0° |
| C28 | N25 | C24 | 112.8° | 111.0° |
| N25 | C28 | H23 | 109.7° | 109.5° |
| N25 | C28 | H24 | 109.7° | 109.5° |
| O18 | C16 | C15 | 119.2° | 120.0° |
| O18 | C16 | C17 | 118.6° | 120.1° |
| O19 | C15 | C16 | 123.9° | 120.1° |
| O19 | C15 | C14 | 119.2° | 120.1° |
| C26 | N25 | C24 | 109.2° | 110.9° |
| N25 | C26 | C27 | 118.7° | 109.3° |
| N25 | C26 | H19 | 107.1° | 109.5° |
| N25 | C26 | H20 | 107.1° | 109.5° |
| N25 | C24 | C23 | 110.5° | 109.3° |
| N25 | C24 | H16 | 109.2° | 109.5° |
| N25 | C24 | H17 | 109.2° | 109.5° |
| C15 | C16 | C17 | 122.1° | 119.9° |
| C16 | C15 | C14 | 116.8° | 119.8° |
| C16 | C17 | C12 | 121.2° | 120.0° |
| C16 | C17 | H7 | 119.4° | 120.0° |
| C15 | C14 | C13 | 122.2° | 120.0° |
| C15 | C14 | H6 | 118.9° | 120.0° |
| C26 | C27 | N22 | 106.1° | 109.4° |
| C27 | C26 | H19 | 107.1° | 109.4° |
| C27 | C26 | H20 | 107.1° | 109.5° |
| C26 | C27 | H21 | 110.3° | 109.5° |
| C26 | C27 | H22 | 110.3° | 109.5° |
| C24 | C23 | N22 | 110.3° | 109.4° |
| C24 | C23 | H14 | 109.3° | 109.5° |
| C24 | C23 | H15 | 109.3° | 109.5° |
| C23 | C24 | H16 | 109.2° | 109.5° |
| C23 | C24 | H17 | 109.2° | 109.4° |
| C17 | C12 | C13 | 117.4° | 120.2° |
| C17 | C12 | C11 | 119.6° | 119.9° |
| C12 | C17 | H7 | 119.4° | 120.1° |
| C23 | N22 | C27 | 111.2° | 110.9° |
| C23 | N22 | C3 | 122.5° | 111.0° |
| N22 | C23 | H14 | 109.2° | 109.5° |
| N22 | C23 | H15 | 109.2° | 109.5° |
| C27 | N22 | C3 | 125.5° | 111.0° |
| N22 | C27 | H21 | 110.3° | 109.5° |
| N22 | C27 | H22 | 110.3° | 109.5° |
| C14 | C13 | C12 | 120.2° | 120.1° |
| C14 | C13 | H5 | 119.9° | 120.0° |
| C13 | C14 | H6 | 118.9° | 120.0° |
| N22 | C3 | N4 | 114.7° | 119.4° |
| N22 | C3 | C2 | 127.8° | 119.4° |
| C13 | C12 | C11 | 122.7° | 119.9° |
| C12 | C13 | H5 | 119.9° | 119.9° |
| C12 | C11 | C10 | 118.4° | 109.5° |
| C12 | C11 | H3 | 107.2° | 109.5° |
| C12 | C11 | H4 | 107.2° | 109.5° |
| N4 | C3 | C2 | 117.3° | 121.2° |
| C3 | N4 | C5 | 123.9° | 121.5° |
| C3 | C2 | C35 | 121.6° | 119.1° |
| C3 | C2 | C1 | 120.2° | 119.3° |
| C11 | C10 | S9 | 107.3° | 109.5° |
| C11 | C10 | H1 | 110.0° | 109.4° |
| C11 | C10 | H2 | 110.0° | 109.5° |
| C10 | C11 | H3 | 107.2° | 109.4° |
| C10 | C11 | H4 | 107.2° | 109.5° |
| C2 | C35 | O34 | 108.6° | 110.3° |
| C35 | C2 | C1 | 118.1° | 121.6° |
| C2 | C35 | H32 | 109.7° | 109.3° |
| C2 | C35 | H33 | 109.7° | 109.3° |
| C35 | O34 | C33 | 115.8° | 113.3° |
| O34 | C35 | H32 | 109.7° | 109.3° |
| O34 | C35 | H33 | 109.7° | 109.3° |
| N4 | C5 | S9 | 118.0° | 119.9° |
| N4 | C5 | C6 | 120.8° | 120.1° |
| C2 | C1 | C6 | 119.6° | 118.8° |
| C2 | C1 | C32 | 121.6° | 121.8° |
| C10 | S9 | C5 | 108.9° | 100.0° |
| S9 | C10 | H1 | 110.0° | 109.5° |
| S9 | C10 | H2 | 110.0° | 109.5° |
| O34 | C33 | C37 | 110.1° | 109.9° |
| O34 | C33 | C32 | 110.8° | 108.4° |
| O34 | C33 | C36 | 105.8° | 109.6° |
| S9 | C5 | C6 | 121.2° | 119.9° |
| C5 | C6 | C1 | 118.1° | 119.0° |
| C5 | C6 | C7 | 118.3° | 120.6° |
| C6 | C1 | C32 | 118.7° | 119.4° |
| C1 | C6 | C7 | 123.5° | 120.5° |
| C1 | C32 | C33 | 114.1° | 109.7° |
| C1 | C32 | H30 | 108.3° | 109.4° |
| C1 | C32 | H31 | 108.3° | 109.4° |
| C37 | C33 | C32 | 111.1° | 109.6° |
| C37 | C33 | C36 | 107.9° | 109.6° |
| C33 | C37 | H37 | 109.5° | 109.5° |
| C33 | C37 | H38 | 109.5° | 109.5° |
| C33 | C37 | H39 | 109.5° | 109.5° |
| C32 | C33 | C36 | 110.9° | 109.7° |
| C33 | C32 | H30 | 108.3° | 109.5° |
| C33 | C32 | H31 | 108.3° | 109.4° |
| C33 | C36 | H34 | 109.5° | 109.5° |
| C33 | C36 | H35 | 109.4° | 109.5° |
| C33 | C36 | H36 | 109.4° | 109.5° |
| C6 | C7 | N8 | 172.1° | 180.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.4° | 109.5° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H27 | C31 | H28 | 109.4° | 109.5° |
| H27 | C31 | H29 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.4° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.4° |
| H32 | C35 | H33 | 109.5° | 109.2° |
| H34 | C36 | H35 | 109.5° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.5° | 109.4° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H39 | 109.4° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C29 | C28 | 107.6° | 180.0° |
| C31 | O30 | C29 | H25 | 132.7° | 60.0° |
| C31 | O30 | C29 | H26 | 12.0° | 60.0° |
| O30 | C31 | H27 | H28 | 120.0° | 120.0° |
| O30 | C31 | H27 | H29 | 120.0° | 120.0° |
| O30 | C31 | H28 | H29 | 120.0° | 120.0° |
| O30 | C29 | C28 | H25 | 119.7° | 120.0° |
| O30 | C29 | C28 | H26 | 119.7° | 120.0° |
| O30 | C29 | C28 | N25 | 126.3° | 65.0° |
| O30 | C29 | C28 | H23 | 113.8° | 55.0° |
| O30 | C29 | C28 | H24 | 6.5° | 175.0° |
| O30 | C29 | H25 | H26 | 121.0° | 120.0° |
| C29 | O30 | C31 | H27 | 180.0° | 180.0° |
| C29 | O30 | C31 | H28 | 60.0° | 60.1° |
| C29 | O30 | C31 | H29 | 60.0° | 60.0° |
| C29 | C28 | N25 | H23 | 119.9° | 120.0° |
| C29 | C28 | N25 | H24 | 119.8° | 120.0° |
| C29 | C28 | N25 | C26 | 79.0° | 170.0° |
| C29 | C28 | N25 | C24 | 157.2° | 66.2° |
| C29 | C28 | H23 | H24 | 120.4° | 120.0° |
| C28 | C29 | H25 | H26 | 120.9° | 120.0° |
| C21 | O19 | C15 | C16 | 55.6° | 179.9° |
| C21 | O19 | C15 | C14 | 127.0° | 0.0° |
| O19 | C21 | H11 | H12 | 120.0° | 120.0° |
| O19 | C21 | H11 | H13 | 120.0° | 120.0° |
| O19 | C21 | H12 | H13 | 120.0° | 120.0° |
| C20 | O18 | C16 | C15 | 121.1° | 180.0° |
| C20 | O18 | C16 | C17 | 55.2° | 0.3° |
| O18 | C20 | H8 | H9 | 120.0° | 119.9° |
| O18 | C20 | H8 | H10 | 120.0° | 120.1° |
| O18 | C20 | H9 | H10 | 120.0° | 120.0° |
| C28 | N25 | C26 | C24 | 125.8° | 123.9° |
| C28 | N25 | C26 | C27 | 76.2° | 64.5° |
| C28 | N25 | C24 | C23 | 75.3° | 64.6° |
| C28 | N25 | C24 | H16 | 164.5° | 55.5° |
| C28 | N25 | C24 | H17 | 44.8° | 175.5° |
| C28 | N25 | C26 | H19 | 45.1° | 55.4° |
| C28 | N25 | C26 | H20 | 162.5° | 175.5° |
| N25 | C28 | H23 | H24 | 120.4° | 120.1° |
| N25 | C28 | C29 | H25 | 6.6° | 175.0° |
| N25 | C28 | C29 | H26 | 114.0° | 55.0° |
| O18 | C16 | C15 | O19 | 3.7° | 0.0° |
| O18 | C16 | C15 | C17 | 176.1° | 179.7° |
| O18 | C16 | C15 | C14 | 178.9° | 180.0° |
| O18 | C16 | C17 | C12 | 179.9° | 179.7° |
| O18 | C16 | C17 | H7 | 0.1° | 0.3° |
| C16 | O18 | C20 | H8 | 180.0° | 180.0° |
| C16 | O18 | C20 | H9 | 60.0° | 60.0° |
| C16 | O18 | C20 | H10 | 60.0° | 60.0° |
| O19 | C15 | C16 | C14 | 177.5° | 180.0° |
| O19 | C15 | C16 | C17 | 179.7° | 179.7° |
| O19 | C15 | C14 | C13 | 179.8° | 180.0° |
| O19 | C15 | C14 | H6 | 0.2° | 0.0° |
| C15 | O19 | C21 | H11 | 180.0° | 180.0° |
| C15 | O19 | C21 | H12 | 60.0° | 60.0° |
| C15 | O19 | C21 | H13 | 60.0° | 60.1° |
| N25 | C26 | C27 | H19 | 121.3° | 120.0° |
| N25 | C26 | C27 | H20 | 121.3° | 120.0° |
| C26 | N25 | C24 | C23 | 50.1° | 59.3° |
| N25 | C26 | C27 | N22 | 52.3° | 58.4° |
| C26 | N25 | C24 | H16 | 70.0° | 179.3° |
| C26 | N25 | C24 | H17 | 170.3° | 60.6° |
| N25 | C26 | H19 | H20 | 115.8° | 120.1° |
| N25 | C26 | C27 | H21 | 67.1° | 178.4° |
| N25 | C26 | C27 | H22 | 171.8° | 61.6° |
| C26 | N25 | C28 | H23 | 161.1° | 50.0° |
| C26 | N25 | C28 | H24 | 40.8° | 70.0° |
| C24 | N25 | C26 | C27 | 49.6° | 59.3° |
| N25 | C24 | C23 | H16 | 120.2° | 120.0° |
| N25 | C24 | C23 | H17 | 120.1° | 119.9° |
| N25 | C24 | C23 | N22 | 59.7° | 58.4° |
| N25 | C24 | C23 | H14 | 179.9° | 61.6° |
| N25 | C24 | C23 | H15 | 60.4° | 178.4° |
| N25 | C24 | H16 | H17 | 119.5° | 120.1° |
| C24 | N25 | C26 | H19 | 170.9° | 179.3° |
| C24 | N25 | C26 | H20 | 71.7° | 60.7° |
| C24 | N25 | C28 | H23 | 37.3° | 173.8° |
| C24 | N25 | C28 | H24 | 83.0° | 53.8° |
| C15 | C16 | C17 | C12 | 3.8° | 0.6° |
| C16 | C15 | C14 | C13 | 2.2° | 0.0° |
| C16 | C15 | C14 | H6 | 177.8° | 180.0° |
| C15 | C16 | C17 | H7 | 176.2° | 180.0° |
| C17 | C16 | C15 | C14 | 2.8° | 0.3° |
| C16 | C17 | C12 | H7 | 180.0° | 179.4° |
| C16 | C17 | C12 | C13 | 3.9° | 0.6° |
| C16 | C17 | C12 | C11 | 177.2° | 179.7° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 2.5° | 0.0° |
| C15 | C14 | C13 | H5 | 177.5° | 179.9° |
| C26 | C27 | N22 | C23 | 57.4° | 59.3° |
| C26 | C27 | N22 | H21 | 119.5° | 119.9° |
| C26 | C27 | N22 | H22 | 119.4° | 120.0° |
| C26 | C27 | N22 | C3 | 132.6° | 176.8° |
| C27 | C26 | H19 | H20 | 115.9° | 120.0° |
| C26 | C27 | H21 | H22 | 121.6° | 120.1° |
| C24 | C23 | N22 | H14 | 120.2° | 120.0° |
| C24 | C23 | N22 | H15 | 120.1° | 120.0° |
| C24 | C23 | N22 | C27 | 64.9° | 59.3° |
| C24 | C23 | N22 | C3 | 124.8° | 176.8° |
| C24 | C23 | H14 | H15 | 119.7° | 120.0° |
| C23 | C24 | H16 | H17 | 119.5° | 120.0° |
| C17 | C12 | C13 | C14 | 3.3° | 0.3° |
| C17 | C12 | C13 | C11 | 173.1° | 179.7° |
| C17 | C12 | C11 | C10 | 106.4° | 90.3° |
| C17 | C12 | C11 | H3 | 14.9° | 149.7° |
| C17 | C12 | C11 | H4 | 132.4° | 29.7° |
| C17 | C12 | C13 | H5 | 176.7° | 179.8° |
| C23 | N22 | C27 | C3 | 169.9° | 123.9° |
| C23 | N22 | C3 | N4 | 131.7° | 61.7° |
| C23 | N22 | C3 | C2 | 42.2° | 118.3° |
| N22 | C23 | H14 | H15 | 119.6° | 120.1° |
| N22 | C23 | C24 | H16 | 60.4° | 178.3° |
| N22 | C23 | C24 | H17 | 179.9° | 61.6° |
| C23 | N22 | C27 | H21 | 62.0° | 179.3° |
| C23 | N22 | C27 | H22 | 176.9° | 60.7° |
| C27 | N22 | C3 | N4 | 37.2° | 62.1° |
| C27 | N22 | C3 | C2 | 149.0° | 117.9° |
| C27 | N22 | C23 | H14 | 175.0° | 60.7° |
| C27 | N22 | C23 | H15 | 55.2° | 179.3° |
| N22 | C27 | C26 | H19 | 173.6° | 178.4° |
| N22 | C27 | C26 | H20 | 69.0° | 61.6° |
| N22 | C27 | H21 | H22 | 121.5° | 120.0° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 176.3° | 180.0° |
| N22 | C3 | N4 | C2 | 174.5° | 180.0° |
| N22 | C3 | C2 | C35 | 5.5° | 0.6° |
| N22 | C3 | N4 | C5 | 177.7° | 179.9° |
| N22 | C3 | C2 | C1 | 175.0° | 179.7° |
| C3 | N22 | C23 | H14 | 4.7° | 63.2° |
| C3 | N22 | C23 | H15 | 115.0° | 56.8° |
| C3 | N22 | C27 | H21 | 107.9° | 56.8° |
| C3 | N22 | C27 | H22 | 13.2° | 63.2° |
| C13 | C12 | C11 | C10 | 80.7° | 90.0° |
| C13 | C12 | C11 | H3 | 158.0° | 30.0° |
| C13 | C12 | C11 | H4 | 40.5° | 150.0° |
| C12 | C13 | C14 | H6 | 177.5° | 180.0° |
| C13 | C12 | C17 | H7 | 176.1° | 180.0° |
| C12 | C11 | C10 | H3 | 121.3° | 120.0° |
| C12 | C11 | C10 | H4 | 121.2° | 120.0° |
| C12 | C11 | C10 | S9 | 172.2° | 180.0° |
| C12 | C11 | C10 | H1 | 52.6° | 60.0° |
| C12 | C11 | C10 | H2 | 68.1° | 60.0° |
| C12 | C11 | H3 | H4 | 116.0° | 120.0° |
| C11 | C12 | C13 | H5 | 3.7° | 0.1° |
| C11 | C12 | C17 | H7 | 2.8° | 0.3° |
| N4 | C3 | C2 | C35 | 179.2° | 179.5° |
| N4 | C3 | C2 | C1 | 1.3° | 0.3° |
| C3 | N4 | C5 | S9 | 179.0° | 179.9° |
| C3 | N4 | C5 | C6 | 2.4° | 0.1° |
| C3 | C2 | C35 | C1 | 179.5° | 179.7° |
| C3 | C2 | C35 | O34 | 147.6° | 164.1° |
| C2 | C3 | N4 | C5 | 3.2° | 0.1° |
| C3 | C2 | C1 | C6 | 1.3° | 0.3° |
| C3 | C2 | C1 | C32 | 178.6° | 179.5° |
| C3 | C2 | C35 | H32 | 27.8° | 75.7° |
| C3 | C2 | C35 | H33 | 92.5° | 43.8° |
| C11 | C10 | S9 | H1 | 119.7° | 120.0° |
| C11 | C10 | S9 | H2 | 119.7° | 120.0° |
| C11 | C10 | S9 | C5 | 79.8° | 180.0° |
| C11 | C10 | H1 | H2 | 121.0° | 120.0° |
| C10 | C11 | H3 | H4 | 116.0° | 120.0° |
| C2 | C35 | O34 | H32 | 119.9° | 120.2° |
| C2 | C35 | O34 | H33 | 119.9° | 120.2° |
| C2 | C35 | O34 | C33 | 64.1° | 51.6° |
| C35 | C2 | C1 | C6 | 178.3° | 179.4° |
| C35 | C2 | C1 | C32 | 1.0° | 0.8° |
| C2 | C35 | H32 | H33 | 120.4° | 119.6° |
| O34 | C35 | C2 | C1 | 31.9° | 16.2° |
| C35 | O34 | C33 | C37 | 63.1° | 170.2° |
| C35 | O34 | C33 | C32 | 60.2° | 70.0° |
| C35 | O34 | C33 | C36 | 179.5° | 49.6° |
| O34 | C35 | H32 | H33 | 120.4° | 119.6° |
| N4 | C5 | S9 | C10 | 19.6° | 0.0° |
| N4 | C5 | S9 | C6 | 178.5° | 180.0° |
| N4 | C5 | C6 | C1 | 0.4° | 0.1° |
| N4 | C5 | C6 | C7 | 177.1° | 179.8° |
| C2 | C1 | C6 | C5 | 2.1° | 0.1° |
| C2 | C1 | C6 | C32 | 177.4° | 179.8° |
| C2 | C1 | C32 | C33 | 3.5° | 17.1° |
| C2 | C1 | C6 | C7 | 178.6° | 180.0° |
| C2 | C1 | C32 | H30 | 117.2° | 103.1° |
| C2 | C1 | C32 | H31 | 124.2° | 137.1° |
| C1 | C2 | C35 | H32 | 151.7° | 104.0° |
| C1 | C2 | C35 | H33 | 88.0° | 136.5° |
| C10 | S9 | C5 | C6 | 161.9° | 180.0° |
| S9 | C10 | H1 | H2 | 121.0° | 120.0° |
| S9 | C10 | C11 | H3 | 66.5° | 60.0° |
| S9 | C10 | C11 | H4 | 51.0° | 60.0° |
| O34 | C33 | C32 | C1 | 23.1° | 48.8° |
| O34 | C33 | C37 | C32 | 123.1° | 119.0° |
| O34 | C33 | C37 | C36 | 115.1° | 120.6° |
| O34 | C33 | C32 | C36 | 117.2° | 119.7° |
| O34 | C33 | C32 | H30 | 143.8° | 71.3° |
| O34 | C33 | C32 | H31 | 97.6° | 168.8° |
| C33 | O34 | C35 | H32 | 176.0° | 68.7° |
| C33 | O34 | C35 | H33 | 55.8° | 171.8° |
| O34 | C33 | C36 | H34 | 180.0° | 59.0° |
| O34 | C33 | C36 | H35 | 60.0° | 61.1° |
| O34 | C33 | C36 | H36 | 60.0° | 178.9° |
| O34 | C33 | C37 | H37 | 180.0° | 179.0° |
| O34 | C33 | C37 | H38 | 60.0° | 60.9° |
| O34 | C33 | C37 | H39 | 60.0° | 59.0° |
| S9 | C5 | C6 | C1 | 178.1° | 179.9° |
| S9 | C5 | C6 | C7 | 1.4° | 0.3° |
| C5 | S9 | C10 | H1 | 160.5° | 60.0° |
| C5 | S9 | C10 | H2 | 39.9° | 60.0° |
| C5 | C6 | C1 | C7 | 176.5° | 179.8° |
| C5 | C6 | C1 | C32 | 179.5° | 179.6° |
| C5 | C6 | C7 | N8 | 164.3° | 63.4° |
| C6 | C1 | C32 | C33 | 173.8° | 163.2° |
| C1 | C6 | C7 | N8 | 12.2° | 116.8° |
| C6 | C1 | C32 | H30 | 65.5° | 76.7° |
| C6 | C1 | C32 | H31 | 53.2° | 43.2° |
| C1 | C32 | C33 | C37 | 99.7° | 168.7° |
| C1 | C32 | C33 | H30 | 120.7° | 120.1° |
| C1 | C32 | C33 | H31 | 120.7° | 120.1° |
| C1 | C32 | C33 | C36 | 140.3° | 70.9° |
| C32 | C1 | C6 | C7 | 4.0° | 0.2° |
| C1 | C32 | H30 | H31 | 117.9° | 119.9° |
| C37 | C33 | C32 | C36 | 120.0° | 120.4° |
| C37 | C33 | C32 | H30 | 21.0° | 48.6° |
| C37 | C33 | C32 | H31 | 139.7° | 71.3° |
| C37 | C33 | C36 | H34 | 62.1° | 179.6° |
| C37 | C33 | C36 | H35 | 177.9° | 59.6° |
| C37 | C33 | C36 | H36 | 57.9° | 60.4° |
| C33 | C37 | H37 | H38 | 120.0° | 120.0° |
| C33 | C37 | H37 | H39 | 120.0° | 120.0° |
| C33 | C37 | H38 | H39 | 120.0° | 119.9° |
| C33 | C32 | H30 | H31 | 117.9° | 119.8° |
| C32 | C33 | C36 | H34 | 59.8° | 60.0° |
| C32 | C33 | C36 | H35 | 60.2° | 180.0° |
| C32 | C33 | C36 | H36 | 179.8° | 60.0° |
| C32 | C33 | C37 | H37 | 56.9° | 60.0° |
| C32 | C33 | C37 | H38 | 176.9° | 179.9° |
| C32 | C33 | C37 | H39 | 63.1° | 60.0° |
| C36 | C33 | C32 | H30 | 99.0° | 169.0° |
| C36 | C33 | C32 | H31 | 19.6° | 49.2° |
| C33 | C36 | H34 | H35 | 120.0° | 120.1° |
| C33 | C36 | H34 | H36 | 120.0° | 120.0° |
| C33 | C36 | H35 | H36 | 120.0° | 120.0° |
| C36 | C33 | C37 | H37 | 64.9° | 60.4° |
| C36 | C33 | C37 | H38 | 55.1° | 59.6° |
| C36 | C33 | C37 | H39 | 175.1° | 179.5° |
| H1 | C10 | C11 | H3 | 173.8° | 180.0° |
| H1 | C10 | C11 | H4 | 68.7° | 60.0° |
| H2 | C10 | C11 | H3 | 53.2° | 60.0° |
| H2 | C10 | C11 | H4 | 170.6° | 180.0° |
| H5 | C13 | C14 | H6 | 2.5° | 0.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | H12 | H13 | 120.0° | 120.0° |
| H14 | C23 | C24 | H16 | 59.7° | 58.4° |
| H14 | C23 | C24 | H17 | 60.0° | 178.4° |
| H15 | C23 | C24 | H16 | 179.5° | 61.6° |
| H15 | C23 | C24 | H17 | 59.8° | 58.5° |
| H19 | C26 | C27 | H21 | 54.2° | 61.7° |
| H19 | C26 | C27 | H22 | 66.9° | 58.4° |
| H20 | C26 | C27 | H21 | 171.6° | 58.4° |
| H20 | C26 | C27 | H22 | 50.5° | 178.4° |
| H23 | C28 | C29 | H25 | 126.5° | 65.0° |
| H23 | C28 | C29 | H26 | 5.9° | 175.0° |
| H24 | C28 | C29 | H25 | 113.2° | 55.0° |
| H24 | C28 | C29 | H26 | 126.2° | 65.0° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H34 | C36 | H35 | H36 | 120.0° | 119.9° |
| H37 | C37 | H38 | H39 | 120.0° | 120.0° |
